[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

C19H18F3N5O — CID 110222447

IUPAC[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3ccncc3)cc2n1
InChIInChI=1S/C19H18F3N5O/c1-2-13-10-16(19(20,21)22)27-17(24-13)11-14(25-27)15-4-3-9-26(15)18(28)12-5-7-23-8-6-12/h5-8,10-11,15H,2-4,9H2,1H3
InChIKeyJHWJWDABEPDKBU-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.68
Rot. Bonds3

About [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone

[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 110222447) has the molecular formula C19H18F3N5O and a molecular weight of 389.38 g/mol. Its IUPAC name is [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
PubChem CID110222447
Molecular FormulaC19H18F3N5O
Molecular Weight389.38 g/mol
Exact Mass389.15
IUPAC Name[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
SMILESCCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3ccncc3)cc2n1
InChIInChI=1S/C19H18F3N5O/c1-2-13-10-16(19(20,21)22)27-17(24-13)11-14(25-27)15-4-3-9-26(15)18(28)12-5-7-23-8-6-12/h5-8,10-11,15H,2-4,9H2,1H3
InChIKeyJHWJWDABEPDKBU-UHFFFAOYSA-N
XLogP3.68
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 92588815
[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methoxypyrimidin-5-yl)methanone
CID 110222361
5-ethyl-2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670567
[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 171670601
(3S)-1-[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92588823
1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 46955739
(3S)-1-[(2R)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-3-pyrazol-1-ylbutan-1-one
CID 92588824
1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 46955728
1-[(2S)-2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)ethanone
CID 92588835
2-(3,5-dimethylpyrazol-1-yl)-1-[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110222345
(6-methyl-3-pyridinyl)-[(2R)-2-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]methanone
CID 92558857
[3-[5-propan-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110238477

Frequently Asked Questions

What is the IUPAC name of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone (CID 110222447) is [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is CCc1cc(C(F)(F)F)n2nc(C3CCCN3C(=O)c3ccncc3)cc2n1.
What is the InChIKey of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is JHWJWDABEPDKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O/c1-2-13-10-16(19(20,21)22)27-17(24-13)11-14(25-27)15-4-3-9-26(15)18(28)12-5-7-23-8-6-12/h5-8,10-11,15H,2-4,9H2,1H3.
What are the key properties of [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone?
[2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 389.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-ethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 110222447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).